Table of Contents
Preface IX
List of Contributors XI
Colour Plates XV (after page 154)
1 The Electronic Structure of Solids 1
Uwe Bovensiepen, Silke Biermann, and Luca Perfetti
1.1 Single-Electron Approximation 2
1.1.1 The Drude Model of the Free Electron Gas 2
1.1.2 The Electronic Band Structure: Metals, Insulators, and Semiconductors 4
1.2 From Bloch Theory to Band Structure Calculations 6
1.2.1 Bloch Theory 6
1.2.2 The Tight Binding Approach to the Solid 7
1.2.3 Band Structure Calculations 8
1.3 Beyond the Band Picture 8
1.3.1 Mott’s Hydrogen Solid 9
1.3.2 Mott Insulators in Nature 10
1.4 Electronic Structure of Correlated Materials 14
1.4.1 The Hubbard Model 14
1.4.2 Dynamical Mean Field Theory 16
1.4.3 Electronic Structure Calculations 17
1.4.4 Ordered States 18
1.4.5 Cooperation Between Lattice Instabilities and Electronic Correlations: The Example of Vanadium Dioxide 21
References 23
2 Quasi-Particles and Collective Excitations 27
Evgueni V. Chulkov, Irina Sklyadneva, Mackillo Kira, Stephan W. Koch, Jose M. Pitarke, Leonid M. Sandratskii, Pawe? Buczek, Kunie Ishioka, Jörg Schäfer, and Martin Weinelt
2.1 Introduction 27
2.2 Quasi-Particles 30
2.2.1 Electrons and Holes 30
2.2.2 Phonons 31
2.2.2.1 Adiabatic Approximation 31
2.2.2.2 Harmonic Approximation 31
2.2.2.3 Lattice Dynamics 32
2.2.2.4 Phonons at Surfaces 33
2.2.3 Electron–Phonon Coupling in Metals 34
2.2.4 Excitons: Electron–Hole Pairs in Semiconductor Quantum Wells 38
2.2.4.1 Microscopic Theory 39
2.2.4.2 Excitonic Resonances and Populations 41
2.2.4.3 Terahertz Spectroscopy of Exciton Populations 43
2.2.4.4 Excitonic Signatures in the Photoluminescence 44
2.2.5 Polarons: Electron–Phonon Coupling in Polar and Ionic Solids 46
2.3 Collective Excitations 49
2.3.1 Plasmons: Electron Density Oscillations 49
2.3.1.1 Surface Plasmons 51
2.3.1.2 Acoustic Surface Plasmons 52
2.3.2 Magnons: Elementary Excitations in Ferromagnetic Materials 53
2.3.2.1 Spin Waves in the Heisenberg Model 54
2.3.2.2 Itinerant Electrons 57
2.3.2.3 Conclusions 64
2.4 Experimental Access to Quasi-Particle and Collective Excitations 65
2.4.1 Coherent Phonons 65
2.4.1.1 Coherent Optical Phonons 65
2.4.1.2 Coherent Acoustic Phonons 74
2.4.2 High-Resolution Angle-Resolved Photoemission 78
2.4.2.1 Photoemission Spectral Function of Quasi-Particles 78
2.4.2.2 Experimental Considerations for Photoelectron Spectroscopy 80
2.4.2.3 Quasi-Particles from Electron–Phonon Interaction 81
2.4.2.4 Quasi-Particles from Electron–Magnon Interaction 82
2.4.2.5 Conclusions and Implications 88
2.4.3 Time-Resolved Photoelectron Spectroscopy 89
2.4.3.1 Experiment 89
2.4.3.2 Electron Lifetimes 91
2.4.3.3 Electron–Phonon Coupling 94
2.4.3.4 Surface Exciton Formation 97
2.4.3.5 Magnon Emission 101
2.4.3.6 Magnon–Phonon Interaction 103
2.5 Summary 105
References 106
3 Surface States and Adsorbate-Induced Electronic Structure 115
Thomas Fauster, Hrvoje Petek, and Martin Wolf
3.1 Intrinsic Surface States 115
3.1.1 Basic Concepts of Surface States 115
3.1.2 Scattering Model of Surface States 116
3.2 Crystal-Induced Surface States 119
3.2.1 Tamm and Shockley Surface States 119
3.2.2 Dangling Bond States 120
3.3 Barrier-Induced Surface States 121
3.3.1 Image Potential States 121
3.3.2 Quantum Well States 124
3.4 Experimental Methods 125
3.4.1 Photoemission 125
3.4.2 Two-Photon Photoemission 128
3.4.3 Scanning Tunneling Methods 133
3.5 Adsorbate-Induced Electronic Structure 135
3.5.1 Bonding at Surfaces 135
3.5.2 Energy-Level Alignment: Alkali–Metal Interfaces as a Model System 138
3.5.3 Electronic Band Structure: Chemisorbed and Physisorbed Adsorbates 147
References 151
4 Basic Theory of Heterogeneous Electron Transfer 155
Daniel Sanchez-Portal, Julia Stähler, and Xiaoyang Zhu
4.1 Resonant Charge Transfer in Chemisorbed Systems 155
4.1.1 Anderson–Grimley–Newns Hamiltonian 156
4.1.2 Main Factors that Determine RCT Decay Rates 158
4.1.3 Theoretical Approaches to Calculate RCT Rates in Realistic Systems 161
4.1.4 Effect of the Adsorbate Motion 163
4.2 Electron Transfer in the Presence of Polar/Polarizable Media 166
4.2.1 Nonadiabatic (Outer Sphere) Electron Transfer 167
4.2.1.1 Continuum of Accepting States 169
4.2.2 Adiabicity and the Effect of Strong Electronic Coupling 170
4.2.3 Intermediate Coupling and the Impact of Solvent Relaxation 171
4.2.3.1 Classical Description and a Wide Band Acceptor 174
4.3 Transient Electronic Coupling: Crossover between Limiting Cases 174
4.4 Conclusions 177
References 178
5 Electromagnetic Interactions with Solids 181
Ricardo Díez Muiño, Eugene E. Krasovskii, Wolfgang Schattke, Christoph Lienau, and Hrvoje Petek
5.1 Dielectric Function of Metals 182
5.1.1 Calculations of Dielectric Functions 183
5.2 Band Mapping of Solids by Photoemission Spectroscopy 186
5.2.1 Nonlinear Photoemission as a Band Mapping Tool for Unoccupied States 189
5.3 Optical Excitations in Metals 191
5.3.1 Optical Response of Noble Metals 193
5.3.2 Interband Absorption 195
5.3.3 Intraband Absorption 197
5.3.4 Extended Drude Model 199
5.3.5 Frequency-Dependent Scattering Rate 201
5.3.6 Surface Absorption 204
5.3.7 Summary 206
5.4 Plasmonic Excitations at Surfaces and Nanostructures 206
5.4.1 Drude Model for Optical Conductivity 207
5.4.2 Interaction of Light with a Planar Metallic Surface 208
5.4.3 Surface Plasmon Polariton Fields 210
5.4.3.1 Planar Interfaces 210
5.4.4 Surface Plasmons in Nanostructured Metal Films 215
5.4.4.1 Spherical Nanoparticles 215
5.4.4.2 Elliptical Nanoparticles 219
5.4.4.3 Diffraction Gratings 220
5.4.4.4 Adiabatic Metallic Tapers 224
5.4.5 Exciton–Plasmon Coupling 227
5.4.6 Summary 230
References 231
Index 239
